1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid

C14H12N2O2S — CID 63891340

IUPAC1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCn1c(Cc2ccsc2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H12N2O2S/c1-16-12-3-2-10(14(17)18)7-11(12)15-13(16)6-9-4-5-19-8-9/h2-5,7-8H,6H2,1H3,(H,17,18)
InChIKeyTYMXJHIBGHUMST-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.92
Rot. Bonds3

About 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid

1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 63891340) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID63891340
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCn1c(Cc2ccsc2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H12N2O2S/c1-16-12-3-2-10(14(17)18)7-11(12)15-13(16)6-9-4-5-19-8-9/h2-5,7-8H,6H2,1H3,(H,17,18)
InChIKeyTYMXJHIBGHUMST-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63246728
[1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040340
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
2-propyl-3-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82774746
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid
CID 61477345
2-[2-[4-(N'-hydroxycarbamimidoyl)phenyl]ethyl]-1-methylbenzimidazole-5-carboxylic acid
CID 173248718
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide
CID 155949376
methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate
CID 53309497
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892629
2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid
CID 157462705

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid (CID 63891340) is 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid is Cn1c(Cc2ccsc2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is TYMXJHIBGHUMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-16-12-3-2-10(14(17)18)7-11(12)15-13(16)6-9-4-5-19-8-9/h2-5,7-8H,6H2,1H3,(H,17,18).
What are the key properties of 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 63891340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).